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1823581-50-5 | (5-FORMYL-3-METHYL-ISOXAZOL-4-YL)-CARBAMIC ACID TERT-BUTYL ESTER
CAS No: 1823581-50-5 Catalog No: AG01DZ28 MDL No:MFCD28146413
Product Description
Catalog Number:
AG01DZ28
Chemical Name:
(5-FORMYL-3-METHYL-ISOXAZOL-4-YL)-CARBAMIC ACID TERT-BUTYL ESTER
CAS Number:
1823581-50-5
Molecular Formula:
C10H14N2O4
Molecular Weight:
226.2292
MDL Number:
MFCD28146413
IUPAC Name:
tert-butyl N-(5-formyl-3-methyl-1,2-oxazol-4-yl)carbamate
InChI:
InChI=1S/C10H14N2O4/c1-6-8(7(5-13)16-12-6)11-9(14)15-10(2,3)4/h5H,1-4H3,(H,11,14)
InChI Key:
JXMSJNISQYPPRX-UHFFFAOYSA-N
SMILES:
O=Cc1onc(c1NC(=O)OC(C)(C)C)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.232g/mol
Monoisotopic Mass:
226.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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